General Information of the Compound
| Compound ID |
CP0003055
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| Compound Name |
US9745291, Compound 54
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C24H28N4O2/c1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28/h2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30)
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| InChIKey |
ZLHFCNLRSIEFQJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound